Wed May 08 09:32:11.732 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:32:11.748 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_77\1\pdata\1
Wed May 08 09:32:11.764 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:32:11.779 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:32:11.779 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:32:11.795 CEST 2019: No HSQC data available
Wed May 08 09:32:11.810 CEST 2019: No C13 data available
Wed May 08 09:32:11.826 CEST 2019: No HMBC data available
Wed May 08 09:32:11.842 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:32:11.886 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:32:12.341 CEST 2019: Structure is used: true
Wed May 08 09:32:12.356 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_77/1/39.mol
Wed May 08 09:32:12.372 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.48 s.
Wed May 08 09:32:12.387 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:32:12.387 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:32:12.403 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:32:12.403 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:32:12.419 CEST 2019: Spectrum is suppressed.
Wed May 08 09:32:12.419 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:32:12.434 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:32:12.434 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:32:12.450 CEST 2019: Expected impurity: TSP
Wed May 08 09:32:12.450 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:32:12.466 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp1, protonShiftLimitAPpm=2.4, protonShiftLimitBPpm=2.5, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 09:32:12.466 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp2, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.76, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 09:32:12.481 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:32:12.481 CEST 2019: RMSD noise: 635.090 (-0.812/-1.312)
Wed May 08 09:32:12.497 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:32:12.497 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:32:12.512 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:32:12.544 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:32:12.684 CEST 2019: Number of Peaks: (32, 10)
Wed May 08 09:32:12.715 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Wed May 08 09:32:12.715 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:32:12.715 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:32:12.731 CEST 2019: Signal-to-Noise ratio: 175.53 (3.269 ppm)
Wed May 08 09:32:12.731 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:32:12.747 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:32:12.747 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.38 s.
Wed May 08 09:32:12.778 CEST 2019: Number of Multiplets: 51
Wed May 08 09:32:12.778 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Wed May 08 09:32:12.840 CEST 2019: Number of Peak Cluster: 16
Wed May 08 09:32:12.856 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 09:32:12.887 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 09:32:13.168 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.26 s.
Wed May 08 09:32:13.168 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:32:13.184 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:32:13.200 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:32:13.217 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:32:13.217 CEST 2019: Number of consistent PNS: 30
Wed May 08 09:32:13.232 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:32:13.248 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:32:13.248 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:32:13.641 CEST 2019: Elapsed time for evaluation (BU Suite): 0.43 s.
Wed May 08 09:32:13.672 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:32:13.672 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:32:14.236 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.58 s.
Wed May 08 09:32:14.236 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:32:14.252 CEST 2019: CMC-q finished in 2.52 s.
